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avoiding static variable

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This commit is contained in:
Ronald E. Miller
2021-03-31 16:18:05 -04:00
parent 2b5af8894e
commit bed57e02f7
1 changed files with 5 additions and 5 deletions
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10
src/KIM/kim_interactions.cpp
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@ -65,6 +65,7 @@
#include "error.h"
#include "fix_store_kim.h"
#include "input.h"
#include "variable.h"
#include "modify.h"
#include "update.h"
@ -96,7 +97,6 @@ void KimInteractions::command(int narg, char **arg)
void KimInteractions::do_setup(int narg, char **arg)
{
static bool kim_update=0;
bool fixed_types;
const std::string arg_str(arg[0]);
if ((narg == 1) && (arg_str == "fixed_types")) {
@ -130,6 +130,7 @@ void KimInteractions::do_setup(int narg, char **arg)
"=======\n");
if (simulatorModel) {
auto first_visit = input->variable->find("kim_update");
if (!fixed_types) {
std::string atom_type_sym_list =
fmt::format("{}", fmt::join(arg, arg + narg, " "));
@ -199,8 +200,8 @@ void KimInteractions::do_setup(int narg, char **arg)
const std::string sim_field_str(sim_field);
if (sim_field_str == "model-defn") {
if (kim_update) input->one("variable kim_update equal 1");
else input->one("variable kim_update equal 0");
if (first_visit<0) input->one("variable kim_update equal 0");
else input->one("variable kim_update equal 1");
if (domain->periodicity[0] &&
domain->periodicity[1] &&
domain->periodicity[2])
@ -242,7 +243,7 @@ void KimInteractions::do_setup(int narg, char **arg)
KIM_SimulatorModel_OpenAndInitializeTemplateMap(simulatorModel);
} else if (!kim_update) {
} else {
// not a simulator model. issue pair_style and pair_coeff commands.
@ -264,7 +265,6 @@ void KimInteractions::do_setup(int narg, char **arg)
// End output to log file
input->write_echo("#=== END kim interactions ============================="
"=======\n\n");
kim_update=1;
}
/* ---------------------------------------------------------------------- */